DIF
2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
Find entries where: DIF
is present as a standalone ligand in 19 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID |
| Synonyms | DICLOFENAC |
| Identifiers | 2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoic acid |
| Formula | C14 H11 Cl2 N O2 |
| Molecular Weight | 296.149 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl |
| InChI | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 30 |
| Chiral Atom Count | 0 |
| Bond Count | 31 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB00586? |
|---|---|
| Name | Diclofenac |
| Groups |
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| Description | Diclofenac is a phenylacetic acid derivative and non-steroidal anti-inflammatory drug (NSAID).[label] NSAIDs inhibit cyclooxygenase (COX)-1 and-2 which are the enzyme responsible for producing prostaglandins (PGs). PGs contribute to inflammation and pain signalling. Diclofenac, like other NSAIDs, is often used as first line therapy for acute and chronic pain and inflammation from a variety of causes. Diclofenac was the product of rational drug design based on the structures of [phenylbutazone], [mefenamic acid], and [indomethacin].[A180796] The addition of two chlorine groups in the ortho position of the phenyl ring locks the ring in maximal torsion which appears to be related to increased potency. It is often used in combination with [misoprostol] to prevent NSAID-induced gastric ulcers. Diclofenac was first approved by the FDA in July 1988 under the trade name Voltaren, marketed by Novartis (previously Ciba-Geigy).[L7360] |
| Synonyms |
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| Brand Names |
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| Indication | Diclofenac is indicated for use in the treatment of pain and inflammation from varying sources including inflammatory conditions such as osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis, as well as injury-related inflammation due to surgery and physical trauma. It is often used in combination with [misoprostol] as a gastro-protective agent in patients with high risk of developing NSAID-induced ulcers. |
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| ATC-Code |
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| CAS number | 15307-86-5 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Prostaglandin G/H synthase 2 | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY... | unknown | inhibitor |
| Prostaglandin G/H synthase 1 | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG... | unknown | inhibitor |
| Cytochrome P450 2C9 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI... | unknown | substrate |
| Cytochrome P450 2C19 | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV... | unknown | substrate |
| Cytochrome P450 1A2 | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL... | unknown | substrate |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL139 |
| PubChem | 3033 |
| ChEMBL | CHEMBL139 |
| ChEBI | CHEBI:47381 |
| CCDC/CSD | SIKLIH10, SIKLIH07, SIKLIH, GOGFOA, SIKLIH05, SIKLIH08, SIKLIH03, SIKLIH02, XUVQUB, BAHMUV, UMUZAE, SIKLIH09, SIKLIH01, OPOFUW, XUVQEL, GOGFOA01, GOGGAN01, XUVYAP01, XUVSIR, LULROC, DUBWEF, WABJAO, WABHOA01, SIKLIH12, WABHOA, NELJIB, WERLAK, WERLOY |
| COD | 2300059, 2006253, 2006252, 4500096, 1517742 |
